3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid

C23H17F2N3O3 — CID 59233811

IUPAC3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)O)ccc3C)c(F)c12
InChIInChI=1S/C23H17F2N3O3/c1-12-3-4-14(23(30)31)11-17(12)16-9-10-28-21(19(16)25)18(22(29)26-2)20(27-28)13-5-7-15(24)8-6-13/h3-11H,1-2H3,(H,26,29)(H,30,31)
InChIKeyYBZBBJMNOIVKSG-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.31
Rot. Bonds4

About 3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid

3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid (PubChem CID 59233811) has the molecular formula C23H17F2N3O3 and a molecular weight of 421.40 g/mol. Its IUPAC name is 3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid
PubChem CID59233811
Molecular FormulaC23H17F2N3O3
Molecular Weight421.40 g/mol
Exact Mass421.12
IUPAC Name3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)O)ccc3C)c(F)c12
InChIInChI=1S/C23H17F2N3O3/c1-12-3-4-14(23(30)31)11-17(12)16-9-10-28-21(19(16)25)18(22(29)26-2)20(27-28)13-5-7-15(24)8-6-13/h3-11H,1-2H3,(H,26,29)(H,30,31)
InChIKeyYBZBBJMNOIVKSG-UHFFFAOYSA-N
XLogP4.31
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid?
The IUPAC name of 3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid (CID 59233811) is 3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid.
What is the SMILES notation for 3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid?
The canonical SMILES for 3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)O)ccc3C)c(F)c12.
What is the InChIKey of 3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid?
The InChIKey is YBZBBJMNOIVKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O3/c1-12-3-4-14(23(30)31)11-17(12)16-9-10-28-21(19(16)25)18(22(29)26-2)20(27-28)13-5-7-15(24)8-6-13/h3-11H,1-2H3,(H,26,29)(H,30,31).
What are the key properties of 3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid?
3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid has a molecular weight of 421.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid is sourced from PubChem (CID 59233811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).